[2-(4-hexylphenyl)pyrimidin-5-yl] tridecanoate

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C29H44N2O2/c1-3-5-7-9-10-11-12-13-14-16-18-28(32)33-27-23-30-29(31-24-27)26-21-19-25(20-22-26)17-15-8-6-4-2/h19-24H,3-18H2,1-2H3